Glycoside
GD039307
Name:
alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamateFormula:
C36H62O9NPSmiles:
CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NCCCO[C@@H]5C[C@@H](O)[C@@H](COP(=O)(O)O)O5)CC[C@@]4(C)[C@@H]3CC[C@@]12CAglycone:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)NCCCO)CCC4(C)C3CCC12C.COP(=O)(O)OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 14 |
| MolWt: | 683.86 | Num_heavy_atoms: | 47 |
| TPSA: | 143.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24344
Formula: C31H53O3N
Smiles:
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)NCCCO)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 487.77 | Num_heavy_atoms: | 35 |
| TPSA: | 58.56 | NumAromaticRings: | 0 |
